ACCESSION: MSBNK-Waters-WA002566
RECORD_TITLE: Nicardipine; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Nicardipine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₆H₂₉N₃O₆
CH$EXACT_MASS: 479.20564
CH$SMILES: c(c1)(N(=O)=O)cccc1C(C(C(=O)OC)=2)C(C(=O)OCCN(C)Cc(c3)cccc3)=C(NC2C)C
CH$IUPAC: InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
CH$LINK: CAS 55985-32-5
CH$LINK: INCHIKEY ZBBHBTPTTSWHBA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6023363

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 16.250 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-014i-0908300000-13d5295d5e77300d6b53
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  105 12 12
  148 764 764
  149 74 74
  166 913 913
  167 129 129
  240 43 43
  315 999 999
  316 274 274
  317 35 35
  349 110 110
  350 16 16
  359 266 266
  360 43 43
  480 599 599
  481 168 168
  482 24 24
  514 20 20
//